General Information of the Compound
| Compound ID |
CP0524113
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| Compound Name |
3-cyano-N-(3-(4-fluorobenzyl)-6-(piperidine-1-carbonyl)-3H-imidazo[4,5-b]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C27H23FN6O2
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| Molecular Weight |
482.519
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| Canonical SMILES |
Fc1ccc(Cn2c(NC(=O)c3cccc(c3)C#N)nc3cc(cnc23)C(=O)N2CCCCC2)cc1
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| InChI |
InChI=1S/C27H23FN6O2/c28-22-9-7-18(8-10-22)17-34-24-23(14-21(16-30-24)26(36)33-11-2-1-3-12-33)31-27(34)32-25(35)20-6-4-5-19(13-20)15-29/h4-10,13-14,16H,1-3,11-12,17H2,(H,31,32,35)
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| InChIKey |
PSLNQTCMFLQVMF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound